Bimetallic hexanuclear clusters in Ce/Zr-UiO-66 MOFs: in situ FTIR spectroscopy and modelling insights

Cesare Atzori; Kirill A Lomachenko; Jannick Jacobsen; Norbert Stock; Alessandro Damin; Francesca Bonino; Silvia Bordiga

doi:10.1039/d0dt01023e

Bimetallic hexanuclear clusters in Ce/Zr-UiO-66 MOFs: in situ FTIR spectroscopy and modelling insights

Dalton Trans. 2020 May 14;49(18):5794-5797. doi: 10.1039/d0dt01023e. Epub 2020 Apr 21.

Authors

Cesare Atzori¹, Kirill A Lomachenko, Jannick Jacobsen, Norbert Stock, Alessandro Damin, Francesca Bonino, Silvia Bordiga

Affiliation

¹ Department of Chemistry, NIS and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, I-10125 Torino, Italy. [email protected].

PMID: 32315376
DOI: 10.1039/d0dt01023e

Abstract

In situ FTIR spectroscopy in combination with results from DFT calculations was used to determine the composition of mixed-metal clusters {Ce_xZr_6-x(μ₃-O)₄(μ₃-OH)₄} in Ce/Zr-UiO-66 compounds. Detailed, quantitative evaluation of vibrational bands ν(OH) of (μ₃-OH)Ce_xZr_3-x groups allowed us to distinguish between two possible models: a solid solution or the presence of distinct clusters. This relatively straightfoward method should be also transferable to other mixed-metal metal-organic frameworks (MOFs).